# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/cbe264cd-bac3-4244-acc0-45983209be97/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for BaSi2O5 / Pnma (62) / materials id 3031](https://mdr.nims.go.jp/datasets/3a7aed26-1b09-46e5-b9f9-274dad5669da) ## Fulltext elements: [O, Si, Ba]cutoff: 8.0pair_type: gaussianfeature_type: gtinvmodel_type: 3max_p: 2max_l: 8gtinv_order: 3gtinv_maxl: [8, 8]gtinv_sym: [0, 0]gtinv_version: 1electrostatic: 0mass: [16.0, 28.09, 137.3]n_pair_params: 11pair_params:- [1.0, 0.0]- [1.0, 0.7777777777777778]- [1.0, 1.5555555555555556]- [1.0, 2.3333333333333335]- [1.0, 3.111111111111111]- [1.0, 3.888888888888889]- [1.0, 4.666666666666667]- [1.0, 5.444444444444445]- [1.0, 6.222222222222222]- [1.0, 7.0]- [0.0, 0.0]n_type_pairs: 6type_pairs:- atom_type_pair: [0, 0] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [0, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [0, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [1, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [2, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1, 2]n_coeffs: 38511coeffs: [1.449924695136982e+01, -7.534388478243782e-01, -5.544610757514866e+00, 3.118368645285836e+01, 3.990858993374433e+02, 3.911319008840761e+06, 4.916699621699042e+02, 1.092141676068538e+03, 4.773557550753924e+04, 6.739413673662889e+00, 3.116287350506174e+02, 7.021399826549080e+02, 5.730784714429757e+04, -3.205574978289611e+04, 2.676751804938369e+06, 0.000000000000000e+00, 1.116721062621957e+06, 0.000000000000000e+00, 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